2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene

C18H14BrClO2 — CID 15708388

IUPAC2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene
SMILESCOc1ccc(-c2c(Br)ccc3cc(Cl)ccc23)cc1OC
InChIInChI=1S/C18H14BrClO2/c1-21-16-8-4-12(10-17(16)22-2)18-14-6-5-13(20)9-11(14)3-7-15(18)19/h3-10H,1-2H3
InChIKeyXJXBAUBISHJIKC-UHFFFAOYSA-N
MW377.67 g/mol
LogP5.94
Rot. Bonds3

About 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene

2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene (PubChem CID 15708388) has the molecular formula C18H14BrClO2 and a molecular weight of 377.67 g/mol. Its IUPAC name is 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene
PubChem CID15708388
Molecular FormulaC18H14BrClO2
Molecular Weight377.67 g/mol
Exact Mass375.99
IUPAC Name2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene
SMILESCOc1ccc(-c2c(Br)ccc3cc(Cl)ccc23)cc1OC
InChIInChI=1S/C18H14BrClO2/c1-21-16-8-4-12(10-17(16)22-2)18-14-6-5-13(20)9-11(14)3-7-15(18)19/h3-10H,1-2H3
InChIKeyXJXBAUBISHJIKC-UHFFFAOYSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.67
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene?
The IUPAC name of 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene (CID 15708388) is 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene.
What is the SMILES notation for 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene?
The canonical SMILES for 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene is COc1ccc(-c2c(Br)ccc3cc(Cl)ccc23)cc1OC.
What is the InChIKey of 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene?
The InChIKey is XJXBAUBISHJIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClO2/c1-21-16-8-4-12(10-17(16)22-2)18-14-6-5-13(20)9-11(14)3-7-15(18)19/h3-10H,1-2H3.
What are the key properties of 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene?
2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene has a molecular weight of 377.67 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-1-(3,4-dimethoxyphenyl)naphthalene is sourced from PubChem (CID 15708388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).